ergo
electron_dynamics.h
Go to the documentation of this file.
1 /* Ergo, version 3.8, a program for linear scaling electronic structure
2  * calculations.
3  * Copyright (C) 2019 Elias Rudberg, Emanuel H. Rubensson, Pawel Salek,
4  * and Anastasia Kruchinina.
5  *
6  * This program is free software: you can redistribute it and/or modify
7  * it under the terms of the GNU General Public License as published by
8  * the Free Software Foundation, either version 3 of the License, or
9  * (at your option) any later version.
10  *
11  * This program is distributed in the hope that it will be useful,
12  * but WITHOUT ANY WARRANTY; without even the implied warranty of
13  * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14  * GNU General Public License for more details.
15  *
16  * You should have received a copy of the GNU General Public License
17  * along with this program. If not, see <http://www.gnu.org/licenses/>.
18  *
19  * Primary academic reference:
20  * Ergo: An open-source program for linear-scaling electronic structure
21  * calculations,
22  * Elias Rudberg, Emanuel H. Rubensson, Pawel Salek, and Anastasia
23  * Kruchinina,
24  * SoftwareX 7, 107 (2018),
25  * <http://dx.doi.org/10.1016/j.softx.2018.03.005>
26  *
27  * For further information about Ergo, see <http://www.ergoscf.org>.
28  */
29 
37 #ifndef ELECTRON_DYNAMICS_HEADER
38 #define ELECTRON_DYNAMICS_HEADER
39 
40 #include <string>
41 
42 #include "realtype.h"
43 
44 namespace ED {
45 
46 struct Params
47 {
54  std::string field_type;
55 
56  Params()
57  : max_time(125),
58  timestep(0.2),
59  dc_pulse_strength(0.005),
60  dc_pulse_time(10),
61  ac_pulse_max(0.07),
62  ac_pulse_omega(0.1),
63  field_type("none")
64  {}
65 
66 };
67 
68 } /* End of namespace ED. */
69 
70 #endif
realtype.h
Definition of the main floating-point datatype used; the ergo_real type.
ED::Params
Definition: electron_dynamics.h:47
ergo_real
double ergo_real
Definition: realtype.h:69
ED::Params::ac_pulse_max
ergo_real ac_pulse_max
Definition: electron_dynamics.h:52
ED::Params::max_time
ergo_real max_time
Definition: electron_dynamics.h:48
ED::Params::dc_pulse_time
ergo_real dc_pulse_time
Definition: electron_dynamics.h:51
ED
Definition: electron_dynamics.h:44
ED::Params::ac_pulse_omega
ergo_real ac_pulse_omega
Definition: electron_dynamics.h:53
ED::Params::Params
Params()
Definition: electron_dynamics.h:56
ED::Params::dc_pulse_strength
ergo_real dc_pulse_strength
Definition: electron_dynamics.h:50
ED::Params::field_type
std::string field_type
Definition: electron_dynamics.h:54
ED::Params::timestep
ergo_real timestep
Definition: electron_dynamics.h:49